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SCHEMBL6604086

SCHEMBL6604086

CC(=O)c1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Cc1cccc(C(F)(F)F)c1Cl)CC2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 15/20 0.65
▸ HTR1D P28221 14/20 0.65
▸ HTR1A P08908 3/20 0.46
▸ GHSR Q92847 1/20 0.46
▸ P2RX7 Q99572 4/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604091 1.00 HTR1B (0.65) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6603902 0.89 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6603907 0.89 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604831 0.88 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604825 0.88 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6605052 0.88 HTR1B (0.64) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6605057 0.88 HTR1B (0.64) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604244 0.86 HTR1B (0.61) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604242 0.86 HTR1B (0.61) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604879 0.81 HTR1B (0.81) HTR1BHTR1DHTR1AGHSRP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 — — EP claimed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 — — EP disclosed